1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
TL;DR: 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid (CAS 4095-85-6) is a chemical compound with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diamino-9,10-dioxoanthracene-2-sulfonic acid
Also Known As: Cibacron Blue, Cholesterylphosphate, Cholesteryl phosphate, Maybridge1_002554, alpha-Cholestanyl phosphate
| Molecular Formula | C14H10N2O5S |
|---|---|
| Molecular Weight | 318.03 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 318.03104 |
| Heavy Atoms | 22 |
| Complexity | 599.0 |
Chemical Identifiers
| CAS Number | 4095-85-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3N)S(=O)(=O)O)N |
| InChIKey | DZXNARMBWJFBGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid (CAS 4095-85-6), with molecular formula C14H10N2O5S and molecular weight 318.03 g/mol. IUPAC: 1,4-diamino-9,10-dioxoanthracene-2-sulfonic acid.
Chemical Property Profile of 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
Property Insights of 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid. The TPSA of 149.0 Ų indicates high polarity, suggesting 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid?
The CAS number of 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid is 4095-85-6.
What is the molecular formula of 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid?
The molecular formula of 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid is C14H10N2O5S.
What is the molecular weight of 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid?
The molecular weight of 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid is 318.03 g/mol.
Where can I buy 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid?
You can request a quote for 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diamino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.